Spektraris NMR
CHEMBL2332643
Common Name: CHEMBL2332643
Synonyms: CHEMBL2332643
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h6,8-10,12-13,16H,4-5,7H2,1-3H3/t8-,9-,10-,12+,13-,15-/m1/s1
InChIKey: InChIKey=YYFKBQHEOQEXAG-BOZOUTQXSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Xin, X.L., Ma, X.C., Liu, K.X., Han, J., Wang, B.R., Guo, D.A. J Asian Nat Prod Res (2008) 10, 933-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.2 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 71.2 |
| 4 (CH) | 44.8 |
| 5 (C) | 147.1 |
| 6 (CH) | 121.7 |
| 7 (CH) | 41.6 |
| 8 (CH) | 76 |
| 9 (CH2) | 42.1 |
| 10 (C) | 32 |
| 11 (CH) | 42.9 |
| 12 (C) | 179.4 |
| 13 (CH3) | 15.8 |
| 14 (CH3) | 28.8 |
| 15 (CH3) | 15.9 |
